Information card for entry 7705392

Structure parameters

• Formula: C38 H60 N2 O2
• Calculated formula: C38 H60 N2 O2
• Title of publication: Distorted copper(ii) radicals with sterically hindered salens: electronic structure and aerobic oxidation of alcohols.
• Authors of publication: Kunert, R.; Philouze, C.; Berthiol, F.; Jarjayes, O.; Storr, T.; Thomas, F.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 37
• Pages of publication: 12990 - 13002
• a: 10.267 ± 0.002 Å
• b: 11.826 ± 0.002 Å
• c: 15.541 ± 0.003 Å
• α: 76.67 ± 0.03°
• β: 83.43 ± 0.03°
• γ: 80.89 ± 0.03°
• Cell volume: 1807 ± 0.6 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.061
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.1179
• Weighted residual factors for all reflections included in the refinement: 0.1314
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No